REMARK  Name = BDB060998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.426   0.434   0.289  0.00  0.00    +0.113 A 
ATOM      2  C   LIG    1       -2.744   0.505  -0.253  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -3.731  -0.385   0.266  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -5.062  -0.339  -0.243  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -5.380   0.515  -1.302  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -4.441   1.404  -1.795  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.356  -1.285   1.293  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.072  -1.307   1.831  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.151   1.409  -1.267  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -1.111  -0.444   1.338  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  11
ATOM     11  S   LIG    1       -0.084   1.443  -0.328  0.00  0.00    +0.061 S 
ATOM     12  O   LIG    1       -0.208   1.609  -1.761  0.00  0.00    -0.153 OA
ATOM     13  O   LIG    1        0.013   2.581   0.561  0.00  0.00    -0.153 OA
BRANCH  11  15
ATOM     14  C   LIG    1        1.368  -0.724  -0.994  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1        1.313   0.468  -0.105  0.00  0.00    -0.175 NA
BRANCH  15  16
ATOM     16  C   LIG    1        2.569   1.268  -0.175  0.00  0.00    +0.144 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.774   0.521   0.356  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1        4.861   0.225  -0.479  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.966  -0.466   0.021  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.997  -0.866   1.356  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.923  -0.575   2.195  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.816   0.115   1.698  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   1  11
BRANCH   4  23
ATOM     23  N   LIG    1       -6.061  -1.272   0.125  0.00  0.00    -0.357 N 
ATOM     24  H   LIG    1       -6.049  -2.066  -0.512  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1       -5.972  -1.595   1.082  0.00  0.00    +0.142 HD
ENDBRANCH   4  23
TORSDOF 5